SCHEMBL995546

SCHEMBL995546

Cc1ccc(-c2cccc(C)n2)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.52
CCR8 P51685 1/20 0.52
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 2/20 0.42
CYP3A4 P08684 2/20 0.42
THRB P10828 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TGFBR1 P36897 5/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP2A6 P11509 1/20 0.39
METAP2 P50579 1/20 0.39
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 2/20 0.37
CA1 P00915 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25562475 0.81 CCR1 (0.56) CCR1CCR8TGFBR1CYP2A6METAP2
SCHEMBL996802 0.80 NOS2 (0.41) NOS3NOS2TDP1ALOX15CYP3A4
SCHEMBL3723641 0.79 CCR1 (0.58) CCR1CCR8NOS3NOS2TDP1
SCHEMBL995619 0.79 CCR1 (0.44) CCR1CCR8NOS3NOS2ALDH1A1
SCHEMBL8090286 0.79 CCR1 (0.52) CCR1CCR8TGFBR1CYP2A6METAP2
SCHEMBL24224628 0.78 CCR1 (0.56) CCR1CCR8TGFBR1CYP2A6METAP2
SCHEMBL12270031 0.76 CCR1 (0.48) CCR1CCR8CYP3A4TGFBR1ALDH1A1
SCHEMBL7907148 0.76 CCR1 (0.58) CCR1CCR8NOS3NOS2TGFBR1
SCHEMBL462761 0.75 CCR1 (0.52) CCR1CCR8NOS3NOS2TGFBR1
SCHEMBL8101860 0.75 CCR1 (0.52) CCR1CCR8NOS3NOS2SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919898-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-26 EP disclosed
EP-1919898-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-26 EP disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 US disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 US disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 US disclosed
CN-101273027-A Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARM LTD (IE) 2008-09-24 CN disclosed
EP-1919898-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS Tibotec Pharmaceuticals Ltd. (IE) 2008-05-14 EP disclosed
WO-2007014922-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014922-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus HCCS, CBR1, CYP2B6 CCR1 137/4885CCR8 494/4885NOS3 140/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.